Results

We employ Molecular Dynamics simulations to study the phase behavior and equilibrium dynamics of a fully flexible Lennard-Jones chain immersed in a Lennard-Jones solvent at high solvent densities. The hydrophobicity of the model polymer is adjusted by varying the attractive component of either the m...

Laser thermal therapy involves heating tissue using light to temperatures between 55 °C and 95 °C for several minutes
resulting in coagulation and cell death. This treatment method has been under investigation for use as a minimally
invasive method for treating solid tumors and cancer cells. Heati...

We present a new method for extracting the effective attenuation coefficient and the diffusion coefficient from relative spectrally resolved cw radiance measurements using the diffusion approximation. The method is validated on both simulated and experimental radiance data sets using Intralipid-1% a...

We have applied an interstitial radiance-based technique based on a spectro-angular mapping approach to the identification and angular localization of 250-nm and 5-nm Au nanoparticle-based inclusions and non-scattering (water only) inclusions in the Intralipid-1% liquid phantom. A combination of the...

Detection of non-scattering domains (voids) is an area of active research in biomedical optics. To avoid complexities of image reconstruction algorithms and requirements of a priori knowledge of void locations inherent to diffuse optical tomography (DOT), it would be useful to establish specific exp...

Background: We have developed a new approach to map localized inclusions of gold nanoparticles in the
Intralipid-1% liquid phantom. Our goal was to show that combined spectroscopic and angular snapshots of liquid
phantoms and phantoms with inclusions allow obtaining information relevant for prostate...

We present a new approach to the analysis of radiance in turbid media. The approach combines data from spectral, angular and spatial domains in a form of spectro-angular maps. Mapping provides a unique way to visualize details of light distribution in turbid media and allows tracking changes with di...

We analyze a role of a localized inclusion as a probe for spatial distributions of migrating photons in turbid media. We present new experimental data and two-dimensional analysis of radiance detection of a localized absorptive inclusion formed by gold nanoparticles in Intralipid-1% when the target ...

In this study, we employ the discontinuous molecular dynamics simulation method to investigate the collapse properties of a single heteropolymer chain in an explicit solvent. Solvent density ρ, fraction of hydrophobic monomers n H (defined as the ratio of the number of hydrophobic monomers to the t...

Polyaniline, poly( N-methyl aniline), poly(2-ethyl aniline) and poly(2-propyl aniline) were intercalated into layered molybdenum diselenide by using the exfoliation/restacking property of LiMoSe. MoSe was reacted with n-butyllithium to form LiMoSe. The LiMoSe was exfoliated in N-methylformamide (NMF...

Monte Carlo (MC) simulations are used to study the dynamics of polymer translocation through a nanopore in the limit where the translocation rate is sufficiently slow that the polymer maintains a state of conformational quasi-equilibrium. The system is modeled as a flexible hard-sphere chain that tr...

Monte Carlo simulations are used to study the behavior of two polymers under confinement in a cylindrical tube. Each polymer is modeled as a chain of hard spheres. We measure the free energy of the system, F, as a function of the distance between the centers of mass of the polymers, lambda, and exam...

Previous work on thermally induced arsenic deactivation in highly doped silicon has proven the generation bf vacancies and suggests the formation of arsenic-vacancy clusters as the deactivation mechanism. Using positron annihilation spectroscopy in the two-detector coincidence geometry, we are able ...

Motivated by a recent report by Dickey et al. [Phys. Med. Biol. 46, 2359 (2001)], who demonstrated optical property retrieval by using relative radiance measurements at a single position, we investigate the uniqueness of relative radiance measurements for quantifying the optical properties of turbid...

Background and Objectives: Fluoroptic sensors are used to measure interstitial temperatures but their utility for monitoring laser interstitial thermal therapy (LITT) is unclear because these sensors exhibit a measurement artefact when exposed to the near-infrared (NIR) treatment light. This study i...

A density-functional theory of the isotropic-nematic phase transition in both rigid and semiflexible hard-sphere chain fluids is described. The theory is based on an exact analytical evaluation of the excluded volume and second virial coefficient B-2 for rigid chain molecules, which demonstrates tha...

A polycrystalline sample of Al63Cu25Fe12 has been studied as a function of thermal treatment by positron annihilation and X-ray diffraction techniques. Results suggest the presence of an icosahedral-to-rhombohedral microcrystalline phase transition near 300-degrees-C. Below this transition, a large ...

We analyze the finite-size corrections to the free energy of crystals with a fixed center of mass. When we explicitly correct for the leading (ln N/N) corrections, the remaining free energy is found to depend linearly on 1/N. Extrapolating to the thermodynamic limit (N -->infinity), we estimate t...